3-[(4-methylmorpholin-4-ium-4-yl)methyl]cyclopentan-1-amine

C11H23N2O+ — CID 126540051

IUPAC3-[(4-methylmorpholin-4-ium-4-yl)methyl]cyclopentan-1-amine
SMILESC[N+]1(CC2CCC(N)C2)CCOCC1
InChIInChI=1S/C11H23N2O/c1-13(4-6-14-7-5-13)9-10-2-3-11(12)8-10/h10-11H,2-9,12H2,1H3/q+1
InChIKeyBOFQTDLOJINLJY-UHFFFAOYSA-N
MW199.32 g/mol
LogP0.59
Rot. Bonds2

About 3-[(4-methylmorpholin-4-ium-4-yl)methyl]cyclopentan-1-amine

3-[(4-methylmorpholin-4-ium-4-yl)methyl]cyclopentan-1-amine (PubChem CID 126540051) has the molecular formula C11H23N2O+ and a molecular weight of 199.32 g/mol. Its IUPAC name is 3-[(4-methylmorpholin-4-ium-4-yl)methyl]cyclopentan-1-amine.

Molecular Properties

Compound Name3-[(4-methylmorpholin-4-ium-4-yl)methyl]cyclopentan-1-amine
PubChem CID126540051
Molecular FormulaC11H23N2O+
Molecular Weight199.32 g/mol
Exact Mass199.18
IUPAC Name3-[(4-methylmorpholin-4-ium-4-yl)methyl]cyclopentan-1-amine
SMILESC[N+]1(CC2CCC(N)C2)CCOCC1
InChIInChI=1S/C11H23N2O/c1-13(4-6-14-7-5-13)9-10-2-3-11(12)8-10/h10-11H,2-9,12H2,1H3/q+1
InChIKeyBOFQTDLOJINLJY-UHFFFAOYSA-N
XLogP0.59
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.32
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-methylmorpholin-4-ium-4-yl)methyl]cyclopentan-1-amine?
The IUPAC name of 3-[(4-methylmorpholin-4-ium-4-yl)methyl]cyclopentan-1-amine (CID 126540051) is 3-[(4-methylmorpholin-4-ium-4-yl)methyl]cyclopentan-1-amine.
What is the SMILES notation for 3-[(4-methylmorpholin-4-ium-4-yl)methyl]cyclopentan-1-amine?
The canonical SMILES for 3-[(4-methylmorpholin-4-ium-4-yl)methyl]cyclopentan-1-amine is C[N+]1(CC2CCC(N)C2)CCOCC1.
What is the InChIKey of 3-[(4-methylmorpholin-4-ium-4-yl)methyl]cyclopentan-1-amine?
The InChIKey is BOFQTDLOJINLJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N2O/c1-13(4-6-14-7-5-13)9-10-2-3-11(12)8-10/h10-11H,2-9,12H2,1H3/q+1.
What are the key properties of 3-[(4-methylmorpholin-4-ium-4-yl)methyl]cyclopentan-1-amine?
3-[(4-methylmorpholin-4-ium-4-yl)methyl]cyclopentan-1-amine has a molecular weight of 199.32 g/mol, XLogP of 0.59, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methylmorpholin-4-ium-4-yl)methyl]cyclopentan-1-amine is sourced from PubChem (CID 126540051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).